[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H17N3O6/c1-29-18-12-16(24(27)28)8-9-17(18)23-19(25)13-30-20(26)10-7-15-5-2-4-14-6-3-11-22-21(14)15/h2-12H,13H2,1H3,(H,23,25)/b10-7+